SCHEMBL6438896

SCHEMBL6438896

CCOc1ccccc1CC(O)(c1ccccc1)C1CNCCO1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 17/20 1.00
SLC6A4 P31645 4/20 0.50
SLC6A3 Q01959 4/20 0.50
ADRB2 P07550 2/20 0.50
HTR1A P08908 1/20 0.50
HTR2A P28223 1/20 0.50
ADRA1A P35348 1/20 0.50
HTR2B P41595 1/20 0.50
MLNR O43193 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
HTR2C P28335 1/20 0.47
OPRK1 P41145 1/20 0.47
KCNH2 Q12809 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14595290 1.00 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3ADRB2HTR1A
SCHEMBL14202990 1.00 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3ADRB2HTR1A
Hydrochloric Acid SCHEMBL5044487 0.99 SLC6A2 (0.98) SLC6A2SLC6A4SLC6A3ADRB2HTR1A
Hydrochloric Acid SCHEMBL5044485 0.99 SLC6A2 (0.98) SLC6A2SLC6A4SLC6A3ADRB2HTR1A
Hydrochloric Acid SCHEMBL5048306 0.99 SLC6A2 (0.98) SLC6A2SLC6A4SLC6A3ADRB2HTR1A
SCHEMBL6438236 0.89 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3ADRB2HTR1A
SCHEMBL8283440 0.89 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3ADRB2HTR1A
SCHEMBL14595288 0.89 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3ADRB2HTR1A
SCHEMBL6469426 0.89 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3ADRB2HTR1A
Hydrochloric Acid SCHEMBL6252355 0.88 SLC6A2 (0.78) SLC6A2SLC6A4SLC6A3ADRB2HTR1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534694-A1 ARYL AND HETEROARYL MORPHOLINE DERIVATIVES ELI LILLY AND COMPANY (US) 2005-06-01 EP disclosed
WO-2004018441-A1 ARYL AND HETEROARYL MORPHOLINE DERIVATIVES ELI LILLY AND COMPANY (US) 2004-03-04 WO disclosed